3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

C23H24N4O — CID 6877900

IUPAC3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(2)15-19-10-12-20(13-11-19)21-16-22(26-25-21)23(28)27-24-14-6-9-18-7-4-3-5-8-18/h3-14,16-17H,15H2,1-2H3,(H,25,26)(H,27,28)/b9-6+,24-14+
InChIKeyBLHNWFRIQMRQNW-XWJCGCQVSA-N
MW372.47 g/mol
LogP4.70
Rot. Bonds7

About 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (PubChem CID 6877900) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
PubChem CID6877900
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(2)15-19-10-12-20(13-11-19)21-16-22(26-25-21)23(28)27-24-14-6-9-18-7-4-3-5-8-18/h3-14,16-17H,15H2,1-2H3,(H,25,26)(H,27,28)/b9-6+,24-14+
InChIKeyBLHNWFRIQMRQNW-XWJCGCQVSA-N
XLogP4.70
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6861947
CID 6861947
CID 6862315
CID 6862315
CID 1828737
CID 1828737
CID 1606508
CID 1606508
CID 18870913
CID 18870913
CID 6862328
CID 6862328
CID 727014
CID 727014
CID 403912
CID 403912
CID 4789701
CID 4789701
CID 6888929
CID 6888929
CID 6889175
CID 6889175
CID 9556533
CID 9556533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide (CID 6877900) is 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is BLHNWFRIQMRQNW-XWJCGCQVSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17(2)15-19-10-12-20(13-11-19)21-16-22(26-25-21)23(28)27-24-14-6-9-18-7-4-3-5-8-18/h3-14,16-17H,15H2,1-2H3,(H,25,26)(H,27,28)/b9-6+,24-14+.
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide?
3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6877900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).